clidinium   Click here for help

GtoPdb Ligand ID: 366

Synonyms: Quarzan®
Approved drug
clidinium is an approved drug
Compound class: Synthetic organic
Comment: Clidinium is an antagonist of the muscarinic M1 and M3 acetylcholine receptors. The branded drug Librax® contains clidinium bromide and chlordiazepoxide.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 46.53
Molecular weight 352.19
XLogP 2.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2
Isomeric SMILES O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2
InChI InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1
InChI Key HOOSGZJRQIVJSZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
(1-methyl-1-azoniabicyclo[2.2.2]octan-8-yl) 2-hydroxy-2,2-di(phenyl)acetate
International Nonproprietary Names Click here for help
INN number INN
463 clidinium bromide
Synonyms Click here for help
Quarzan®
Database Links Click here for help
CAS Registry No. 7020-55-5 (source: Scifinder)
ChEBI CHEBI:126351
ChEMBL Ligand CHEMBL620
DrugBank Ligand DB00771
DrugCentral Ligand 676
GtoPdb PubChem SID 135650108
PubChem CID 2784
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Wikipedia Clidinium_bromide